RADIAL DISTRIBUTION FUNCTIONS AND COMPRESSIBILITY FACTORS FOR BINARY MIXTURE OF HARD SPHERES FROM MOLECULAR DYNAMICS SIMULATION
Kuroczycki B., Banaszak Michał, Jurga S.
Institute of Physics, A. Mickiewicz University, Umultowska 85, 61-614 Poznań, Poland
Received:
Rec. 26 October 2004
DOI: 10.12921/cmst.2004.10.02.161-167
OAI: oai:lib.psnc.pl:568
Abstract:
Molecular dynamics simulation of binary mixtures of hard spheres with large size ratio is reported. Radial distribution functions, their contact values and the compressibility factors are recorded at three state points. A reasonably good agreement with theory and Monte Carlo simulations is shown.
References:
[1] N. Metropolis, A. W. Resenbluth, M. N. Rosenbluth, A. H. Teller, and E. Teller, J. Chem. Phys,
21, 1087 (1953).
[2] B. J. Adler and T. E. Wainwright, J. Chem. Phys. 27, 1208 (1957).
[3] W. W. Wood and J. D. Jacobson, J. Chem. Phys. 27, 1207 (1957).
[4] M. Dijkstra, R. van Roij, and R. Evans, Phys. Rev. E, 59, 5744 (1999).
[5] H. N. W. Lekkerkerker and A. Stroobants, Physica A, 195, 387 (1993).
[6] Y. Rosenfeld, Phys. Rev. Lett. 73, 3831 (1994).
[7] K. W. Wojciechowski, Physica A, 232, 723 (1996).
[8] T. G. Mason and D. A. Weitz, Phys. Rev. Lett. 75, 2770 (1995).
[9] P. N. Segre, S. P. Meeker, P. N. Pusey, and W. C. Poon, Phys. Rev. Lett. 75, 958 (1995).
[10] D. Cao, K.-Y. Chan, D. Henderson, and W. Wang, Molec. Phys. 98, 619 (2000).
[11] T. Boublik, J. Chem. Phys. 53, 471 (1970).
[12] G. A. Mansoori, N. F. Carnhan, K. E. Starling, and T. W. Leland, J. Chem. Phys. 54, 1523 (1971).
[13] D. Yau, K. Y. Chan, and D. Henderson, Molec. Phys. 88, 1237 (1996).
[14] D. Yau, K. Y. Chan, and D. Henderson, Molec. Phys. 91, 1137 (1997).
[15] D. Henderson, D. Sokolowski, and D. Wasan, Phys. Rev. E, 57, 5539 (1998).
[16] D. V. Matyushov and B. M. Ladanyi, J. Chem. Phys. 107, 5815 (1997).
[17] B. J. Alder and T. E. Wainwright, J. Chem. Phys. 31, 459 (1959).
[18] B. J. Alder and T. E. Wainwright, J. Chem. Phys. 33, 1439 (1960).
[19] M. P. Allen and D. J. Tildesley, Computer Simulation of Liquids, Oxford University Press, Oxford 1987.
Molecular dynamics simulation of binary mixtures of hard spheres with large size ratio is reported. Radial distribution functions, their contact values and the compressibility factors are recorded at three state points. A reasonably good agreement with theory and Monte Carlo simulations is shown.
[1] N. Metropolis, A. W. Resenbluth, M. N. Rosenbluth, A. H. Teller, and E. Teller, J. Chem. Phys,
21, 1087 (1953).
[2] B. J. Adler and T. E. Wainwright, J. Chem. Phys. 27, 1208 (1957).
[3] W. W. Wood and J. D. Jacobson, J. Chem. Phys. 27, 1207 (1957).
[4] M. Dijkstra, R. van Roij, and R. Evans, Phys. Rev. E, 59, 5744 (1999).
[5] H. N. W. Lekkerkerker and A. Stroobants, Physica A, 195, 387 (1993).
[6] Y. Rosenfeld, Phys. Rev. Lett. 73, 3831 (1994).
[7] K. W. Wojciechowski, Physica A, 232, 723 (1996).
[8] T. G. Mason and D. A. Weitz, Phys. Rev. Lett. 75, 2770 (1995).
[9] P. N. Segre, S. P. Meeker, P. N. Pusey, and W. C. Poon, Phys. Rev. Lett. 75, 958 (1995).
[10] D. Cao, K.-Y. Chan, D. Henderson, and W. Wang, Molec. Phys. 98, 619 (2000).
[11] T. Boublik, J. Chem. Phys. 53, 471 (1970).
[12] G. A. Mansoori, N. F. Carnhan, K. E. Starling, and T. W. Leland, J. Chem. Phys. 54, 1523 (1971).
[13] D. Yau, K. Y. Chan, and D. Henderson, Molec. Phys. 88, 1237 (1996).
[14] D. Yau, K. Y. Chan, and D. Henderson, Molec. Phys. 91, 1137 (1997).
[15] D. Henderson, D. Sokolowski, and D. Wasan, Phys. Rev. E, 57, 5539 (1998).
[16] D. V. Matyushov and B. M. Ladanyi, J. Chem. Phys. 107, 5815 (1997).
[17] B. J. Alder and T. E. Wainwright, J. Chem. Phys. 31, 459 (1959).
[18] B. J. Alder and T. E. Wainwright, J. Chem. Phys. 33, 1439 (1960).
[19] M. P. Allen and D. J. Tildesley, Computer Simulation of Liquids, Oxford University Press, Oxford 1987.